Razieh Sabet

Scopus Publications

Synthesis, QSAR analysis and molecular docking study of a new series of 3-hydroxypyridine-4-one derivatives as anti-tyrosinase agents
Hossein Sadeghpour, Sara Sadeghian, Leila Emami, Mehdi Khoshneviszadeh, Paria Razmi, Zahra Karimi Ghezeli, Alireza Moradian, Alireza Bahrampour, Razieh Sabet
BMC Chemistry, 2026
Tyrosinase is a critical rate-limiting enzyme in the melanogenesis pathway. Consequently, its inhibition represents a rational therapeutic strategy for treating skin disorders associated with excessive melanin production. In the present study, a series of novel 3-hydroxypyridine-4-one derivatives (6a-i) were synthesized, and their chemical structures were confirmed using spectroscopic techniques. The inhibitory potency of these compounds against tyrosinase was predicted using quantitative structure–activity relationship (QSAR) analysis. QSAR modeling was conducted on twenty-four previously synthesized 3-hydroxypyridin-4-one derivatives with established anti-tyrosinase activity. The best-performing model was subsequently employed to predict the IC50 values of the newly synthesized compounds. Among the evaluated statistical methods, the Multiple Linear Regression (MLR) model demonstrated the highest accuracy and precision, exhibiting the lowest data dispersion. Furthermore, its predictive performance for pIC50 values was superior, with R² = 0.93 and Q² = 0.81. The MLR results indicated hyperchem descriptors, 2-D functional descriptors, and GETAWAY descriptors as the most influential parameters contributing to model performance. Finally, molecular docking simulations revealed favorable interactions between the new synthesized compounds and the active site of tyrosinase, supporting their potential as effective tyrosinase inhibitors.
Design, Synthesis, Molecular Docking Studies, Antioxidant Effects, and Enzyme Inhibition of 3-Aryl-4-Hydroxy-6-Methyl-2H-Pyran-2-One Derivatives as Mushroom Tyrosinase Inhibitors
Somaye Karimian, Donya Mazheri, Somaye Pirhadi, Maryam Shahriyari, Mohammadbagher Bahmani, Razieyeh Sabet, Mehdi Khoshneviszadeh
Chemistryselect, 2025
In this study, thirteen derivatives of 3‐aryl‐4‐hydroxy‐6‐methyl‐2 H ‐pyran‐2‐one ( 3a–3m ) were rationally designed and synthesized as potential tyrosinase inhibitors. All synthesized structures were confirmed by 1 H NMR, 13 C NMR, ESI–MS, IR, and elemental analysis. In the next step, it was found that compounds ( 3i ) and ( 3j ) exhibit the most potent tyrosinase inhibitory activities, with IC 50 values of 1.56 ± 0.21 and 1.82 ± 0.11 µM, respectively, and significantly outperform the reference inhibitor, kojic acid (IC 50 = 9.3 ± 1.27 µM). Antioxidant evaluation using the DPPH assay revealed weak radical scavenging activities (22.97%–36.47%) of all derivatives, suggesting that their inhibitory action is likely unrelated to antioxidant properties. Kinetic studies indicated that compound ( 3i ) acts as a mixed‐type inhibitor with an inhibition constant ( K i ) of 2.2 µM. Molecular docking studies demonstrated favorable binding interactions of compounds ( 3i ) and ( 3j ) within the tyrosinase active site, involving coordination with copper ions and hydrogen bonding with key residues. These findings were further validated by molecular dynamics (MD) simulations, which confirmed the structural stability of the 3i ‐tyrosinase complex over a 100 ns simulation period. Overall, compounds ( 3i ) and ( 3j ) represent promising leads for the development of novel tyrosinase inhibitors for potential use in pharmaceutical, cosmetic, and food industry applications.
l-Aspartic acid-functionalized magnetic nanoparticles: as a new magnetically reusable bifunctional acid–base catalysts for the synthesis of benzo[b]pyran and pyrano[3,2–c] chromene derivatives
Leila Amiri-Zirtol, Hanieh Mostashfi, Razieh Sabet, Zahra Karimi, Reza Ranjbar-Karimi
Scientific Reports, 2025
“Green chemistry” describes the development of new technologies that reduce or eliminate the need for hazardous compounds or the production of them. In order to accomplish this goal, we have developed a new magnetic recyclable biocatalyst in this study by successfully applying aspartic acid to magnetic nanoparticles. Aspartic acid's molecular makeup made it possible for it to stabilize on magnetic nanoparticles using a straightforward method. We characterized the synthesized catalyst using microscopic and spectroscopic techniques such as Fourier transform infrared (FT-IR), X-ray diffraction (XRD), Field emission scanning electron microscopy (FE-SEM), Energy-dispersive X-ray spectroscopy (EDS), vibrating sample magnetometer (VSM) and transmission electron microscopy (TEM). The catalytic activity of this organocatalyst was evaluated for the synthesis of benzo[ b ]pyran and pyrano[3,2– c ] chromene derivatives, exhibiting excellent efficiency. This protocol offers several benefits, such as using a low-cost biocatalyst, nontoxicity, high product yield, easy separation, short reaction times, catalyst reusability, and H 2 O/EtOH solvent. In summary, our research indicates a feasible approach towards developing a novel magnetic biocatalyst suitable for application in organic synthesis.
Antimicrobial evaluation, molecular docking, DFT analysis, and ADME studies of 3-Hydroxypyridin-4-one analogues
Hossein Sadeghpour, Sara Sadeghian, Fateme Zare, Mehdi Jamali, Narjes Moghtaderi Estahbanati, Kamiar Zomorodian, Zahra Zareshahrabadi, Razieh Sabet
Results in Chemistry, 2025
A series of 3-hydroxypyridine-4-one analogues (5a–r, 6a–r) were evaluated for their antimicrobial activities against a broad panel of bacterial ( E. coli, S. typhi, P. aeruginosa, B. subtilis, K. pneumoniae, and S. aureus ) and fungal ( C. albicans, A. niger, C. krusei, C. tropicalis, C. glabrata, C. parapsilosis, C. dublinensis, Cryptococcus neoformans, and Aspergillus flavus ) species using the CLSI method. The studied compounds exhibited moderate to good antibacterial activity, with 5a–r generally outperforming 6a–r analogues. Notably, chlorine substitutions at the ortho and para positions of the phenyl ring (compounds 5d and 5o ) significantly enhanced activity against E. coli (MIC = 32 μg/mL). Thiophene substitution ( 6j ) improved potency against S. typhi and P. aeruginosa . Antifungal evaluation revealed that compounds bearing hydroxyl and isopropyl substituents, as well as thiophene and furan moieties, exhibited potent activity, with compound 5 l showing remarkable efficacy against C. krusei (MIC = 2 μg/mL) and compound 6b outperforming fluconazole against C. parapsilosis (MIC = 0.5 μg/mL). Molecular docking studies supported these findings by demonstrating strong binding affinities of potent compounds to bacterial Gyrase B and fungal sterol 14-alpha demethylase (CYP51). Density Functional Theory (DFT) calculations further elucidated the electronic properties correlating with reactivity and stability. These results highlight the critical role of Ar position substitutions in modulating antimicrobial activity and offer promising leads for the development of novel antibacterial and antifungal agents.
New spirooxindole-thiazolidine derivatives as antiseizure agents: Biological evaluation and computational studies
Leila Emami, Leila Moezi, Pegah Mardaneh, Sara Sadeghian, Elaheh Ataollahi, Masoumeh Divar, Sahar Zarei, Saeed Agah, Razieh Sabet, Soghra Khabnadideh
Results in Chemistry, 2025
Background: Oxindoles and spirooxindoles are considered privileged scaffolds in medicinal chemistry due to their diverse biological activities, which include anticonvulsant, anticancer, and antimicrobial properties. Their distinctive structural characteristics render them appealing targets for synthetic modification and the development of innovative therapeutic agents. Notably, their significance in pharmaceutical drug discovery arises from their capacity to interact with various biological targets implicated in disease pathogenesis. Objective: To evaluate the effects of several new spirooxindole derivatives in animal models of epilepsy, specifically using intravenous pentylenetetrazole (PTZ)-induced epilepsy mouse models and maximal electroshock (MES) models. Methods: This research examined the anticonvulsant properties of spiroindole thiazolidine derivatives (A1-A8) through intraperitoneal administration of pentylenetetrazole (PTZ) and maximal electroshock (MES) seizure models in NMRI mice. The compounds were given via intraperitoneal injection, and the latency, occurrence, and duration of seizures were measured. To investigate interactions with the GABA-A receptor, molecular docking and dynamics simulations were carried out. Statistical analysis was performed using ANOVA, and the results were presented as means ± SEM. Results: Some spirooxindole derivatives exhibited anticonvulsant effects in animal models of epilepsy; however, this effect was not consistent across all models and compounds. Among the compounds evaluated, A6 and A8 emerged as the most effective anticonvulsants, demonstrating an elevation in seizure threshold at administered doses of 25, 50, and 100 mg/kg. Docking studies indicated that certain compounds may act as GABA-A agonists. Furthermore, a docking study revealed that compounds A4 and A6 exhibited lower binding energy as GABA-A agonists. Molecular dynamics (MD) simulations were also conducted, confirming that A6 exhibited excellent binding affinity for GABA aminotransferase. Conclusion: These findings suggest the potential of certain new spirooxindole derivatives as candidates for anticonvulsant drugs. However, further studies are required to validate these results and to explore their mechanisms of action.
In-silico screening of Staphylococcus aureus antibacterial agents based on Isatin scaffold: QSAR, molecular docking, molecular dynamics simulation and DFT analysis
Leila Emami, Sara Sadeghian, Pegah Mardaneh, Fateme Zare, Soghra Khabnadideh, Elaheh Ataollahi, Ladan Baziyar, Safoora Mehravar, Razieh Sabet
Molecular Physics, 2025
Pyrazole derivatives as antileishmanial agents: Biological evaluation, molecular docking study, DFT analysis and ADME prediction
Razieh Sabet, Gholamreza Hatam, Leila Emami, Elaheh Ataollahi, Fateme Zare, Leila Zamani, Behnaz Kazemi, Masood Mohabati Jahromi, Sara Sadeghian, Soghra Khabnadideh
Heliyon, 2024
Leishmaniasis is a parasitic disease that is commonly found in tropical and sub-tropical regions. Currently, there is no protective antileishmanial vaccine, and the available clinical drugs have serious side effects. On the other hand, due to the emergence of multidrug-resistant strains of the causative pathogens, the study and design of novel antileishmanial agents is urgently needed. Accordingly, fourteen previously synthesized pyrazole and pyrano [2,3-c] pyrazole derivatives (P 1 -P 14 ) were evaluated for antileishmanial efficacy against the protozoan parasite, Leishmania major . Among the tested compounds, seven derivatives including P 1 , P 3 , P 5 , P 8 , P 12 , P 13 , and P 14 exhibited promising antileishmanial activity with IC 50 values in the range of 34.79–43.55 μg/mL, compared to the standard drug (Glucantime) with an IC 50 value of 97.31 μg/mL. In the case of pyrazole derivatives, P 1 , P 5 , and P 8 exhibited significant antileishmanial activity with IC 50 values of 35.53, 36.79, and 37.40 μg/mL, respectively. The most potent antileishmanial activity is belong to P 12 and P 14 , with IC 50 values of 34.79 and 38.51 μg/mL, respectively. Molecular docking outputs presented that P 12 and P 14 formed favorable interactions with key residues in the active site of the 14-alpha demethylase enzyme, which is an important target for antileishmanial agents. Various DFT parameters were also calculated for compounds P 1 and P 12 , which were the most and least active compounds, respectively. The outputs indicated that compound P 1 was more thermodynamically stable than P 12 . Additionally, P 1 had higher hardness and a higher energy gap, resulting in greater stability. In addition, these compounds showed satisfactory theoretical ADME properties. The present results indicate that the investigated pyrazole and pyrano [2,3-c] pyrazole derivatives can be considered as promising agents for the development of antileishmaniasis treatments.
Synthesis, design, biological evaluation, and computational analysis of some novel uracil-azole derivatives as cytotoxic agents
Leila Emami, Fateme Zare, Soghra Khabnadideh, Zahra Rezaei, Zahra Sabahi, Saman Zare Gheshlaghi, Marzieh Behrouz, Mina Emami, Zahra Ghobadi, Sedighe Madadelahi Ardekani, Fatemeh Barzegar, Ali Ebrahimi, Razieh Sabet
BMC Chemistry, 2024
The design and synthesis of novel cytotoxic agents is still an interesting topic for medicinal chemistry researchers due to the unwanted side effects of anticancer drugs. In this study, a novel series of uracil–azole hybrids were designed and synthesized. The cytotoxic activity, along with computational studies: molecular docking, molecular dynamic simulation, density functional theory, and ADME properties were also, evaluated. The compounds were synthesized by using 3-methyl-6-chlorouracil as the starting material. Cytotoxicity was determined using MTT assay in the breast carcinoma cell line (MCF-7) and Hepatocellular carcinoma cell line (HEPG-2). These derivatives demonstrated powerful inhibitory activity against breast and hepatocellular carcinoma cell lines in comparison to Cisplatin as positive control. Among these compounds, 4j displayed the best selectivity profile and good activity with IC50 values of 16.18 ± 1.02 and 7.56 ± 5.28 µM against MCF-7 and HEPG-2 cell lines respectively. Structure–activity relationships revealed that the variation in the cytotoxic potency of the synthesized compounds was affected by various substitutions of benzyl moiety. The docking output showed that 4j bind well in the active site of EGFR and formed a stable complex with the EGFR protein. DFT was used to investigate the reactivity descriptors of 4a and 4j. The outputs demonstrated that these uracil–azole hybrids can be considered as potential cytotoxic agents.
Synthesis, biological evaluation, molecular docking, MD simulation and DFT analysis of new 3-hydroxypyridine-4-one derivatives as anti-tyrosinase and antioxidant agents
Sara Sadeghian, Fateme Zare, Mehdi Khoshneviszadeh, Arian Fathi Hafshejani, Farhang Salahshour, Ahmadreza Khodabakhshloo, Lotfollah Saghaie, Ghazal Goshtasbi, Zahra Sarikhani, Alireza Poustforoosh, Razieh Sabet, Hossein Sadeghpour
Heliyon, 2024
In the present study, ten new substituted 3-hydroxypyridine-4-one derivatives were synthesized in a four-step method, and their chemical structures were confirmed using various spectroscopic techniques. Subsequently, the inhibitory activities of these derivatives against tyrosinase enzyme and their antioxidant activities were evaluated. Amongest the synthesized compounds, 6b bearing a 4-OH-3-OCH3 substitution was found to be a promising tyrosinase inhibitor with an IC50 value of 25.82 μM, which is comparable to the activity of kojic acid as control drug. Kinetic study indicated that compound 6b is a competitive inhibitor of tyrosinase enzyme, which was confirmed by molecular docking results. The molecular docking study and MD simulation showed that compound 6b was properly placed within the tyrosinase binding pocket and interacted with key residues, which is consistent with its biological activity. The DFT analysis demonstrated that compound 6b is kinetically more stable than the other compounds. In addition, compounds 6a and 6b exhibited the best antioxidant activities. The findings indicate that compound 6b could be a promising lead for further studies.
New 3-Hydroxypyridine-4-one Analogues: Their Synthesis, Antimicrobial Evaluation, Molecular Docking, and In Silico ADME Prediction
Sara Sadeghian, Fateme Zare, Lotfollah Saghaie, Afshin Fassihi, Pooria Zare, Razieh Sabet
Medicinal Chemistry, 2024
Introduction: Drug resistance to existing antimicrobial drugs has become a serious threat to human health, which highlights the need to develop new antimicrobial agents. Methods: In this study, a new set of 3-hydroxypyridine-4-one derivatives (6a-j) was synthesized, and the antimicrobial effects of these derivatives were evaluated against a variety of microorganisms using the microdilution method. The antimicrobial evaluation indicated that compound 6c, with an electron-donating group -OCH3 at the meta position of the phenyl ring, was the most active compound against S. aureus and E. coli species with an MIC value of 32 μg/mL. Compound 6c was more potent than ampicillin as a reference drug. Results: The in vitro antifungal results showed that the studied derivatives had moderate effects (MIC = 128-512 μg/mL) against C. albicans and A. niger species. The molecular modeling studies revealed the possible mechanism and suitable interactions of these derivatives with the target protein. Conclusion: The obtained biological results offer valuable insights into the design of more effective antimicrobial agents.
Design, synthesis, in silico ADME, DFT, molecular dynamics simulation, anti-tyrosinase, and antioxidant activity of some of the 3-hydroxypyridin-4-one hybrids in combination with acylhydrazone derivatives
Razieh Fazel, Bahareh Hassani, Fateme Zare, Habibollah Jokar Darzi, Mehdi Khoshneviszadeh, Alireza Poustforoosh, Marzieh Behrouz, Razieh Sabet, Hossein Sadeghpour
Journal of Biomolecular Structure and Dynamics, 2024
Smart Stimuli Responsive Hydrogels; Fascinating platform for Therapeutic Applications
Journal of Mazandaran University of Medical Sciences, 2023
Synthesis, Antimicrobial Evaluation, Molecular Docking, and ADME Studies of Some Novel 3-Hydroxypyridine-4-one Derivatives
Sara Sadeghian, Fateme Zare, Ghazal Goshtasbi, Afshin Fassihi, Lotfollah Saghaie, Pooria Zare, Razieh Sabet
Chemistryselect, 2023
Synthesis of 3-hydroxypyridin-4-one derivatives bearing benzyl hydrazide substitutions towards anti-tyrosinase and free radical scavenging activities
Bahareh Hassani, Fateme Zare, Leila Emami, Mehdi Khoshneviszadeh, Razieh Fazel, Negin Kave, Razieh Sabet, Hossein Sadeghpour
Rsc Advances, 2023
Comparison of Protective Effects of Phenolic Acids on Protein Glycation of BSA Supported by in Vitro and Docking Studies
Marzieh Rashedinia, Zeinab Rasti Arbabi, Razieh Sabet, Leila Emami, Alireza Poustforoosh, Zahra Sabahi
Biochemistry Research International, 2023
Aryloxy Alkyl Theophylline Derivatives as Antifungal Agents: Design, Synthesis, Biological Evaluation and Computational Studies
Zeinab Faghih, Leila Emami, Kamiar Zomoridian, Razieh Sabet, Rahele Bargebid, Ali Mansourian, Behnam Zeinali, Zohre Rostami, Soghra Khabnadideh
Chemistryselect, 2022
Fluconazole-Like Compounds as Potential Antifungal Agents: QSAR, Molecular Docking, and Molecular Dynamics Simulation
Farnaz Salehi, Leila Emami, Zahra Rezaei, Soghra Khabnadideh, Behnaz Tajik, Razieh Sabet
Journal of Chemistry, 2022
Quinazoline analogues as cytotoxic agents; QSAR, docking, and in silico studies
Leila Emami, Razieh Sabet, Soghra Khabnadideh, Zeinab Faghih, Parvin Thayori
Research in Pharmaceutical Sciences, 2021
2-(Chloromethyl)-3-phenylquinazolin-4(3H)-ones as potent anticancer agents; cytotoxicity, molecular docking and in silico studies
Leila Emami, Zeinab Faghih, Soghra Khabnadideh, Zahra Rezaei, Razieh Sabet, Ebrahim Harigh, Zahra Faghih
Journal of the Iranian Chemical Society, 2021
An Efficient Method for Synthesis of Some Novel Spirooxindole-4H-Pyran Derivatives
Masoumeh Divar, Kamiar Zomorodian, Razieh Sabet, Maryam Moeini, Soghra Khabnadideh
Polycyclic Aromatic Compounds, 2021
Design, synthesis, in vitro evaluation and molecular docking study of N'-Arylidene imidazo [1,2-a] pyridine -2-carbohydrazide derivatives as novel Tyrosinase inhibitors
Tahereh Damghani, Saba Hadaegh, Mahsima khoshneviszadeh, Somayeh Pirhadi, Razieh Sabet, Mehdi Khoshneviszadeh, Najmeh Edraki
Journal of Molecular Structure, 2020
Synthesis of some novel dibromo-2-arylquinazolinone derivatives as cytotoxic agents
Soghra Khabnadideh, Zeinab Faghih, Nasrin Rahmannejadi, Razieh Sabet, Kamiar Zomorodian, Mohammad Asad
Research in Pharmaceutical Sciences, 2019
Novel Catechol Derivatives of Arylimidamides as Antileishmanial Agents
Foroogh Rezaei, Lotfollah Saghaie, Razieh Sabet, Afshin Fassihi, Gholamreza Hatam
Chemistry and Biodiversity, 2018
Iron chelation afforded cardioprotection against H2O 2-induced H9C2 cell injury: Application of novel 3-hydroxy pyridine-4-one derivatives
Razieh Sabet, Mohaddeseh Behjati, Rouhollah Vahabpour, Arash Memarnejadian, Mahboubeh Rostami, Afshin Fassihi, Mohammad R. Aghasadeghi, Lotfollah Saghaie, Ramin Miri
International Journal of Cardiology, 2012
Synthesis, calcium-channel blocking activity, and conformational analysis of some novel 1,4-dihydropyridines: Application of PM3 and DFT computational methods
Afshin Fassihi, Karim Mahnam, Behzad Moeinifard, Maryam Bahmanziari, Hojjat Sadeghi Aliabadi, Afshin Zarghi, Razieh Sabet, Mona Salimi, Mahboubeh Mansourian
Medicinal Chemistry Research, 2012
QSAR study of anthranilic acid sulfonamides as methionine aminopeptidase-2 inhibitors
Afshin Fassihi, Mohsen Shahlaei, Behzad Moeinifard, Razieh Sabet
Monatshefte Fur Chemie, 2012
Computer-aided design of novel antibacterial 3-hydroxypyridine-4-ones: Application of QSAR methods based on the MOLMAP approach
Razieh Sabet, Afshin Fassihi, Bahram Hemmateenejad, Lotfollah Saghaei, Ramin Miri, Maryam Gholami
Journal of Computer Aided Molecular Design, 2012
Application of different chemometric tools in QSAR study of azolo-adamantanes against influenza A virus
Research in Pharmaceutical Sciences, 2011
QSAR study of anthranilic acid sulfonamides as inhibitors of methionine aminopeptidase-2 using LS-SVM and GRNN based on principal components
Mohsen Shahlaei, Razieh Sabet, Maryam Bahman Ziari, Behzad Moeinifard, Afshin Fassihi, Reza Karbakhsh
European Journal of Medicinal Chemistry, 2010
QSAR study of isatin analogues as in vitro anti-cancer agents
Razieh Sabet, Mehrdad Mohammadpour, Amir Sadeghi, Afshin Fassihi
European Journal of Medicinal Chemistry, 2010
Quantitative structure-activity relationship studies on 2-amino-6-arylsulfonylbenzonitriles as human immunodeficiency viruses type 1 reverse transcriptase inhibitors using descriptors obtained from substituents and whole molecular structures
Bahram Hemmateenejad, Razieh Sabet, Afshin Fassihi
Chemical Biology and Drug Design, 2009
QSAR study of PETT derivatives as potent HIV-1 reverse transcriptase inhibitors
Razieh Sabet, Afshin Fassihi, Behzad Moeinifard
Journal of Molecular Graphics and Modelling, 2009
Synthesis and antitubercular activity of novel 4-substituted imidazolyl-2,6-dimethyl-N3,N5-bisaryl-1,4-dihydropyridine-3,5-dicarboxamides
Afshin Fassihi, Zahra Azadpour, Neda Delbari, Lotfollah Saghaie, Hamid R. Memarian, Razieh Sabet, Abdolvahab Alborzi, Ramin Miri, Bahman Pourabbas, Jalal Mardaneh
European Journal of Medicinal Chemistry, 2009
Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives
Afshin Fassihi, Daryoush Abedi, Lotfollah Saghaie, Razieh Sabet, Hossein Fazeli, Ghasem Bostaki, Omid Deilami, Hekmatollah Sadinpour
European Journal of Medicinal Chemistry, 2009
QSAR study of antimicrobial 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives using different chemometric tools
Razieh Sabet, Afshin Fassihi
International Journal of Molecular Sciences, 2008
QSAR study of p56 lck protein tyrosine kinase inhibitory activity of flavonoid derivatives using MLR and GA-PLS
Afshin Fassihi, Razieh Sabet
International Journal of Molecular Sciences, 2008
Composition of the essential oil of lonicera nummularifolia Jaub et Spach
K. Javidnia, R. Miri, R. Sabet, A. Jafari
Journal of Essential Oil Research, 2004

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Scopus Publications